SCHEMBL3379935

SCHEMBL3379935

O=S(=O)(O)Nc1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CXCR2 P25025 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
EGFR P00533 1/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
CXCR1 P25024 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6684548 0.84 TSHR (0.42) KMT2AHTTMEN1LMNAL3MBTL1
SCHEMBL1291091 0.78 KEAP1 (0.55) KMT2AHTTL3MBTL1
SCHEMBL29388997 0.78 KEAP1 (0.55) KMT2AHTTL3MBTL1
SCHEMBL27182654 0.77 POLB (0.44) MCL1KMT2AHTTMEN1NPC1
Sulfuric Acid SCHEMBL20984747 0.77 CA1 (0.53) KMT2AHTTMEN1NPC1LMNA
SCHEMBL1075937 0.76 GAA (0.55) KMT2AHTTMEN1NPC1LMNA
SCHEMBL5731180 0.75 ALDH1A1 (0.58) KMT2AHTTMEN1CA1CA2
Sulfuric Acid SCHEMBL28200149 0.75 KMT2A (0.42) KMT2AHTTMEN1NPC1LMNA
SCHEMBL1290833 0.75 PSIP1 (0.61) MCL1HTTLMNAPOLBTP53
SCHEMBL14295192 0.75 POLB (0.40) MCL1KMT2AHTTMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed